#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd9 s ASP 3 N 0.00 2.65 0.29 1.09 1.47 -1.26 -2.31 116.67 118.60 1nd9 s ASP 3 Ca 0.00 -0.44 0.00 0.00 1.18 0.00 0.00 52.55 53.29 1nd9 s ASP 3 Cb 0.00 -0.77 -0.02 0.00 -0.34 0.00 0.00 42.92 41.79 1nd9 s ASP 3 CO 0.00 0.20 0.32 -0.69 0.68 0.00 0.00 175.17 175.67 1nd9 s VAL 4 N -0.03 0.00 -0.13 2.11 1.01 -1.05 -4.95 120.40 117.35 1nd9 s VAL 4 Ca -0.05 -1.82 -0.27 0.00 0.00 0.00 0.00 61.98 59.84 1nd9 s VAL 4 Cb -0.13 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1nd9 s VAL 4 CO 0.03 0.00 0.90 0.42 0.00 0.00 0.00 175.10 176.45 1nd9 s THR 5 N -3.57 4.85 0.67 3.92 -4.23 -1.26 -1.33 115.64 114.70 1nd9 s THR 5 Ca 0.35 1.80 -0.17 0.00 -1.18 0.00 0.00 61.69 62.49 1nd9 s THR 5 Cb 0.02 -4.21 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 1nd9 s THR 5 CO 0.20 0.04 0.98 0.00 -0.54 0.00 0.00 174.62 175.29 1nd9 n ILE 6 N 4.56 3.32 0.00 2.99 0.00 -1.03 -3.13 119.36 126.07 1nd9 n ILE 6 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 62.75 62.38 1nd9 n ILE 6 Cb 0.49 -1.13 0.00 0.00 0.00 0.00 0.00 39.64 39.00 1nd9 n ILE 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nd9 n LYS 7 N -1.53 0.00 -0.22 9.51 0.00 -1.26 -2.98 118.16 121.67 1nd9 n LYS 7 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.41 1nd9 n LYS 7 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.59 1nd9 n LYS 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1nd9 h THR 8 N 0.00 1.04 -0.14 3.15 2.02 -1.99 0.42 112.91 117.42 1nd9 h THR 8 Ca 0.00 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1nd9 h THR 8 Cb 0.00 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1nd9 h THR 8 CO 0.00 0.13 -0.18 0.25 0.37 0.00 0.00 175.52 176.09 1nd9 h LEU 9 N 0.73 0.39 -0.71 2.58 5.85 -1.80 -1.38 115.31 120.98 1nd9 h LEU 9 Ca 0.26 -0.51 0.14 0.00 0.84 0.00 0.00 57.88 58.61 1nd9 h LEU 9 Cb 0.07 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 40.85 1nd9 h LEU 9 CO -0.13 0.83 -0.16 0.00 -0.34 0.00 0.00 178.44 178.64 1nd9 h ALA 10 N 0.58 0.48 -0.08 1.25 0.00 -1.48 0.17 119.26 120.18 1nd9 h ALA 10 Ca 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1nd9 h ALA 10 Cb 0.74 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nd9 h ALA 10 CO 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 179.25 178.86 1nd9 h ALA 11 N 1.70 0.11 -0.08 0.00 0.00 -0.20 -2.90 119.26 117.89 1nd9 h ALA 11 Ca 0.34 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nd9 h ALA 11 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nd9 h ALA 11 CO -0.72 -0.17 -0.05 -1.91 0.00 0.00 0.00 179.25 176.40 1nd9 n GLU 12 N -4.80 -0.04 -0.03 0.00 0.00 0.57 -0.30 120.64 116.05 1nd9 n GLU 12 Ca -0.07 0.39 -0.13 0.00 0.00 0.00 0.00 57.16 57.36 1nd9 n GLU 12 Cb 0.22 -0.59 -0.09 0.00 0.00 0.00 0.00 31.44 30.98 1nd9 n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nd9 h ARG 13 N 0.00 0.09 -1.47 5.31 2.47 -1.62 -3.50 114.38 115.66 1nd9 h ARG 13 Ca 0.01 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1nd9 h ARG 13 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1nd9 h ARG 13 CO -0.08 0.57 0.00 0.94 0.56 0.00 0.00 179.97 181.96 1nd9 n GLN 14 N -4.77 0.00 -1.41 0.04 -0.06 0.59 -4.65 117.38 107.13 1nd9 n GLN 14 Ca -0.08 0.46 -0.14 0.00 -2.00 0.00 0.00 57.00 55.24 1nd9 n GLN 14 Cb 0.29 -0.28 -0.06 0.00 -4.06 0.00 0.00 30.24 26.13 1nd9 n GLN 14 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1nd9 n THR 15 N 0.26 0.00 0.00 1.69 -1.04 -1.26 -4.81 114.28 109.11 1nd9 n THR 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nd9 n THR 15 Cb 0.00 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 1nd9 n THR 15 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nd9 n SER 16 N -0.87 0.00 -0.20 8.00 7.64 -1.26 -4.79 113.62 122.13 1nd9 n SER 16 Ca -0.14 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.75 1nd9 n SER 16 Cb 0.55 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.85 1nd9 n SER 16 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1nd9 h VAL 17 N 0.00 0.48 -0.60 0.44 3.04 -1.86 0.50 116.25 118.26 1nd9 h VAL 17 Ca 0.00 -0.03 0.12 0.00 -1.01 0.00 0.00 66.70 65.78 1nd9 h VAL 17 Cb 0.00 0.37 -0.11 0.00 -2.01 0.00 0.00 31.29 29.54 1nd9 h VAL 17 CO 0.00 0.02 -0.14 -0.08 -1.01 0.00 0.00 177.57 176.36 1nd9 h GLU 18 N 0.10 0.01 -0.54 4.17 4.81 -1.74 0.69 114.58 122.09 1nd9 h GLU 18 Ca 0.32 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1nd9 h GLU 18 Cb 0.51 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 1nd9 h GLU 18 CO -0.54 0.01 0.24 0.00 -0.73 0.00 0.00 179.01 177.99 1nd9 h ARG 19 N 0.01 0.44 -0.18 1.92 2.47 -1.02 -2.59 114.38 115.44 1nd9 h ARG 19 Ca 0.29 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 59.04 1nd9 h ARG 19 Cb 0.45 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.61 1nd9 h ARG 19 CO -0.61 0.29 -0.17 -0.07 0.56 0.00 0.00 179.97 179.97 1nd9 h LEU 20 N 0.46 -0.55 -0.68 3.04 3.38 0.49 -2.30 115.31 119.15 1nd9 h LEU 20 Ca 0.25 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.47 1nd9 h LEU 20 Cb 0.22 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 1nd9 h LEU 20 CO -0.21 -0.22 0.09 1.62 0.09 0.00 0.00 178.44 179.81 1nd9 h VAL 21 N -0.19 0.50 0.00 1.22 3.04 -0.23 0.24 116.25 120.83 1nd9 h VAL 21 Ca 0.11 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1nd9 h VAL 21 Cb 0.36 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1nd9 h VAL 21 CO -0.29 0.04 0.00 1.67 -1.01 0.00 0.00 177.57 177.97 1nd9 n GLN 22 N -5.22 0.00 -0.08 4.17 7.27 -0.89 -1.00 117.38 121.63 1nd9 n GLN 22 Ca 0.12 0.48 -0.08 0.00 0.07 0.00 0.00 57.00 57.58 1nd9 n GLN 22 Cb 0.41 -1.44 -0.02 0.00 2.41 0.00 0.00 30.24 31.59 1nd9 n GLN 22 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1nd9 h GLN 23 N 0.00 -0.27 -0.77 3.69 4.20 -1.42 -1.55 115.11 118.99 1nd9 h GLN 23 Ca 0.00 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.89 1nd9 h GLN 23 Cb 0.00 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 27.74 1nd9 h GLN 23 CO 0.00 -0.18 0.26 0.74 -0.67 0.00 0.00 178.83 178.98 1nd9 h PHE 24 N -0.29 0.42 -0.81 2.96 0.04 -0.60 0.31 116.94 118.99 1nd9 h PHE 24 Ca 0.15 0.04 0.19 0.00 2.80 0.00 0.00 57.97 61.15 1nd9 h PHE 24 Cb 0.53 -0.07 -0.14 0.00 2.20 0.00 0.00 35.95 38.47 1nd9 h PHE 24 CO -0.49 -0.03 0.03 0.00 -0.60 0.00 0.00 178.31 177.22 1nd9 h ALA 25 N 1.61 0.89 -0.09 2.45 0.00 -0.01 1.71 119.26 125.82 1nd9 h ALA 25 Ca 0.44 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.60 1nd9 h ALA 25 Cb 0.74 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nd9 h ALA 25 CO -0.48 -0.44 0.03 -0.44 0.00 0.00 0.00 179.25 177.92 1nd9 h ASP 26 N 0.11 0.13 0.00 0.00 5.19 -0.41 -3.33 116.42 118.11 1nd9 h ASP 26 Ca 0.46 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1nd9 h ASP 26 Cb 0.84 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1nd9 h ASP 26 CO -0.70 0.29 0.00 0.00 -3.12 0.00 0.00 179.24 175.70 1nd9 n ALA 27 N -2.22 -0.12 0.00 3.45 0.00 0.51 -4.84 120.51 117.30 1nd9 n ALA 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nd9 n ALA 27 Cb 0.13 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1nd9 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nd9 n GLY 28 N -0.88 0.00 2.11 0.00 0.00 0.27 -5.05 105.19 101.64 1nd9 n GLY 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1nd9 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nd9 n ILE 29 N 0.00 0.00 -2.14 -0.61 2.08 -0.70 -4.98 119.36 113.00 1nd9 n ILE 29 Ca 0.00 -1.59 -0.33 0.00 0.56 0.00 0.00 62.75 61.39 1nd9 n ILE 29 Cb 0.00 0.78 -0.00 0.00 -0.75 0.00 0.00 39.64 39.66 1nd9 n ILE 29 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1nd9 s ARG 30 N -2.90 3.49 0.60 0.38 0.52 -1.26 -3.86 118.95 115.92 1nd9 s ARG 30 Ca 0.25 1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 56.53 1nd9 s ARG 30 Cb 0.01 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.43 1nd9 s ARG 30 CO 0.18 -0.66 0.92 0.21 0.02 0.00 0.00 175.30 175.97 1nd9 s LYS 31 N -4.08 2.90 0.70 3.54 2.20 -1.14 -3.45 119.74 120.41 1nd9 s LYS 31 Ca 0.62 0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1nd9 s LYS 31 Cb -0.14 -2.24 0.11 0.00 -1.51 0.00 0.00 37.83 34.04 1nd9 s LYS 31 CO 0.35 -0.75 0.98 -1.54 -0.36 0.00 0.00 175.35 174.04 1nd9 s SER 32 N -4.31 4.49 0.00 1.43 1.04 -1.25 -3.92 113.70 111.17 1nd9 s SER 32 Ca 0.54 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1nd9 s SER 32 Cb -0.11 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1nd9 s SER 32 CO 0.46 -1.76 0.00 0.00 0.98 0.00 0.00 173.24 172.92 1nd9 n ALA 33 N -2.83 0.00 -2.39 5.32 0.00 -1.26 -4.84 120.51 114.51 1nd9 n ALA 33 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1nd9 n ALA 33 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 1nd9 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nd9 n ASP 34 N -0.27 -8.80 0.00 0.00 2.03 -1.26 -5.01 116.55 103.25 1nd9 n ASP 34 Ca 0.00 1.84 0.00 0.00 0.52 0.00 0.00 54.79 57.15 1nd9 n ASP 34 Cb 0.22 -5.26 0.00 0.00 -0.72 0.00 0.00 41.12 35.36 1nd9 n ASP 34 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nd9 n ASP 35 N 1.85 0.00 -4.27 1.67 2.03 -1.16 -4.96 116.55 111.71 1nd9 n ASP 35 Ca -0.04 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.96 1nd9 n ASP 35 Cb 0.06 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.30 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1nd9 s SER 36 N -4.00 3.03 0.23 1.67 0.01 -1.25 -2.46 113.70 110.93 1nd9 s SER 36 Ca 0.00 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1nd9 s SER 36 Cb 0.00 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1nd9 s SER 36 CO 0.00 0.25 0.22 0.54 0.41 0.00 0.00 173.24 174.66 1nd9 s VAL 37 N -0.21 0.00 -0.13 3.43 0.11 -0.44 -2.88 120.40 120.28 1nd9 s VAL 37 Ca -0.02 -1.89 0.01 0.00 -2.93 0.00 0.00 61.98 57.16 1nd9 s VAL 37 Cb -0.13 -2.46 0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1nd9 s VAL 37 CO 0.03 0.00 -0.17 -0.55 -3.33 0.00 0.00 175.10 171.09 1nd9 s SER 38 N -3.17 2.69 0.39 3.54 0.15 -1.26 -2.54 113.70 113.50 1nd9 s SER 38 Ca 0.36 -0.49 -0.18 0.00 0.70 0.00 0.00 55.95 56.34 1nd9 s SER 38 Cb 0.05 -1.21 -0.10 0.00 -1.71 0.00 0.00 66.02 63.05 1nd9 s SER 38 CO 0.14 0.00 0.86 0.00 1.20 0.00 0.00 173.24 175.44 1nd9 s ALA 39 N 1.13 3.16 -0.85 5.45 0.00 -0.98 -3.52 121.76 126.16 1nd9 s ALA 39 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1nd9 s ALA 39 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1nd9 s ALA 39 CO -0.05 0.21 0.00 1.04 0.00 0.00 0.00 175.76 176.96 1nd9 n GLN 40 N -0.55 -1.44 0.27 0.00 6.02 -1.26 -4.79 117.38 115.63 1nd9 n GLN 40 Ca 0.05 0.73 0.18 0.00 -0.01 0.00 0.00 57.00 57.96 1nd9 n GLN 40 Cb 0.54 -4.97 0.87 0.00 1.02 0.00 0.00 30.24 27.70 1nd9 n GLN 40 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1nd9 h GLU 41 N 0.10 0.00 0.00 -1.09 4.39 -1.92 -3.39 114.58 112.66 1nd9 h GLU 41 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1nd9 h GLU 41 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1nd9 h GLU 41 CO 0.24 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.72 1nd9 n LYS 42 N -2.87 0.00 -0.01 2.33 4.76 -1.26 -1.72 118.16 119.39 1nd9 n LYS 42 Ca -0.01 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.59 1nd9 n LYS 42 Cb 0.16 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 33.59 1nd9 n LYS 42 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1nd9 n GLN 43 N 0.00 0.02 -0.20 1.97 3.00 -1.26 -1.29 117.38 119.62 1nd9 n GLN 43 Ca 0.00 0.89 -0.01 0.00 -0.01 0.00 0.00 57.00 57.87 1nd9 n GLN 43 Cb 0.00 -2.28 0.06 0.00 0.00 0.00 0.00 30.24 28.02 1nd9 n GLN 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nd9 h THR 44 N 0.00 0.43 0.07 5.09 1.03 -1.70 0.81 112.91 118.64 1nd9 h THR 44 Ca 0.28 -0.01 0.02 0.00 -0.01 0.00 0.00 66.41 66.70 1nd9 h THR 44 Cb 2.32 0.40 -0.05 0.00 -1.07 0.00 0.00 68.15 69.76 1nd9 h THR 44 CO -0.00 0.00 -0.36 -0.07 -0.01 0.00 0.00 175.52 175.08 1nd9 h LEU 45 N 0.02 -1.07 -0.01 0.00 3.38 -1.51 -0.91 115.31 115.21 1nd9 h LEU 45 Ca 0.29 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1nd9 h LEU 45 Cb 0.45 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1nd9 h LEU 45 CO -0.59 -0.43 -0.01 -0.29 0.09 0.00 0.00 178.44 177.20 1nd9 h ILE 46 N -0.56 1.40 0.00 1.22 6.09 -1.57 -2.64 117.51 121.44 1nd9 h ILE 46 Ca 0.04 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1nd9 h ILE 46 Cb 0.62 2.20 0.00 0.00 0.47 0.00 0.00 36.82 40.11 1nd9 h ILE 46 CO -0.24 0.32 0.00 -0.67 -3.07 0.00 0.00 178.15 174.48 1nd9 n ASP 47 N -4.82 0.00 -0.13 2.19 -0.08 0.28 -1.31 116.55 112.67 1nd9 n ASP 47 Ca -0.08 0.99 -0.05 0.00 -1.51 0.00 0.00 54.79 54.14 1nd9 n ASP 47 Cb 0.27 -0.49 0.02 0.00 2.34 0.00 0.00 41.12 43.26 1nd9 n ASP 47 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1nd9 h HIS 48 N 0.00 -0.39 0.00 -0.67 3.86 -1.33 -3.10 115.15 113.52 1nd9 h HIS 48 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1nd9 h HIS 48 Cb 0.00 0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1nd9 h HIS 48 CO 0.06 -0.25 0.00 -0.11 0.86 0.00 0.00 177.93 178.49 1nd9 n LEU 49 N -5.37 0.00 0.00 2.43 0.00 -1.00 -5.09 117.00 107.97 1nd9 n LEU 49 Ca 0.03 1.00 0.02 0.00 0.00 0.00 0.00 56.01 57.06 1nd9 n LEU 49 Cb 0.27 -0.50 0.10 0.00 0.00 0.00 0.00 43.42 43.30 1nd9 n LEU 49 CO 0.11 -0.50 0.34 -3.20 0.00 0.00 0.00 177.39 174.14